Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA7 | P43166 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | HSD17B3 | P37058 | 8/20 | 0.47 |
| ▸ | MIF | P14174 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7443170 | 0.98 | ESR1 (0.56) | ESR1CA12CA1CA2CA7 | |
| Methane SCHEMBL11375164 | 0.85 | KMT2A (0.53) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL10740037 | 0.84 | SMN1; SMN2 (0.60) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL10782158 | 0.83 | KMT2A (0.54) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL20524444 | 0.83 | KMT2A (0.60) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL10805330 | 0.80 | HDAC3 (0.58) | ALDH1A1RAB9AMAPTSMN1; SMN2TDP1 | |
| SCHEMBL10459828 | 0.80 | CA12 (0.46) | ESR1CA12CA1CA2CA7 | |
| Methane SCHEMBL9835792 | 0.79 | NPC1 (0.50) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL10457925 | 0.78 | SMN1; SMN2 (0.48) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL2009324 | 0.77 | NR1H4 (0.47) | CA12CA1CA2CA7CA9 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0238357-B1 | 1,2,4-TRIAZINONE DERIVATIVES, THEIR PREPARATION AND USE | Sankyo Company Limited (JP) | 1991-05-29 | — | — | EP | disclosed |
| US-4898862-A | 1,2,4-triazinone derivatives, their preparation and use | SANKYO COMPANY LIMITED (JP) | 1990-02-06 | — | — | US | disclosed |
| EP-0238357-A2 | 1,2,4-Triazinone derivatives, their preparation and use | Sankyo Company Limited (JP) | 1987-09-23 | — | — | EP | disclosed |